REMARK  Name = BDB032669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.341  -0.453  -0.724  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -2.052  -1.593  -0.034  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.889  -2.156  -0.531  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.486  -1.345  -1.511  0.00  0.00    +0.182 A 
ATOM      5  C   LIG    1       -1.374  -0.266  -1.684  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.012   0.344   0.976  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -3.560   0.254  -0.352  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.321   0.877  -1.356  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -5.494   1.571  -1.044  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.919   1.664   0.279  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.175   1.060   1.290  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.932  -1.266   2.634  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.257  -0.181   1.995  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        0.678  -1.641  -2.197  0.00  0.00    -0.187 N 
ATOM     15  H   LIG    1        1.196  -2.450  -1.868  0.00  0.00    +0.176 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.560  -0.572  -3.091  0.00  0.00    +0.111 S 
ATOM     17  O   LIG    1        0.678   0.207  -3.925  0.00  0.00    -0.138 OA
ATOM     18  O   LIG    1        2.687  -1.294  -3.629  0.00  0.00    -0.138 OA
BRANCH  16  19
ATOM     19  N   LIG    1        2.123   0.444  -1.906  0.00  0.00    -0.174 NA
ATOM     20  H   LIG    1        1.507   1.219  -1.668  0.00  0.00    +0.150 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.089  -0.023  -0.906  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1        2.503   0.148   0.495  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        3.463  -0.356   1.575  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.938  -0.233   1.187  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.179   0.931   0.235  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        4.389   0.780  -1.067  0.00  0.00    +0.020 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 6